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Memory usage by VASP-5.4 DFPT calculations

Last post by alex « Thu Apr 13, 2017 9:34 am
Replies: 3
by deepashri » Sat Apr 08, 2017 6:18 am

3 Replies

6114 Views

Last post by alex
Thu Apr 13, 2017 9:34 am
Abnormal Termination

Last post by admin « Fri Mar 17, 2017 10:41 am
Replies: 3
by ganguly » Tue Mar 07, 2017 7:19 am

3 Replies

5474 Views

Last post by admin
Fri Mar 17, 2017 10:41 am
TDHF: unexpected output parameters in OUTCAR

Last post by ashwin « Wed Mar 15, 2017 3:31 pm
Replies: 2
by ashwin » Thu Mar 09, 2017 10:13 pm

2 Replies

4473 Views

Last post by ashwin
Wed Mar 15, 2017 3:31 pm
Bug: eigenvectors of non mass-weighted Hessian matrix

Last post by rgarcia « Tue Mar 07, 2017 3:27 pm
Replies: 6
by rgarcia » Fri Nov 25, 2016 3:41 pm

6 Replies

9113 Views

Last post by rgarcia
Tue Mar 07, 2017 3:27 pm
Error in calculating the Optical Properties for 1D system

Last post by admin « Thu Feb 02, 2017 12:05 pm
Replies: 3
by jjhskang » Wed Nov 16, 2016 8:56 am

3 Replies

6576 Views

Last post by admin
Thu Feb 02, 2017 12:05 pm
Error in documentation about SAXIS

Last post by admin « Fri Jan 13, 2017 2:50 pm
Replies: 1
by qiaojunfeng » Fri Dec 16, 2016 5:38 am

1 Replies

3114 Views

Last post by admin
Fri Jan 13, 2017 2:50 pm
Clarification on potpaw_PBE versions

Last post by admin « Mon Dec 12, 2016 3:55 pm
Replies: 1
by MelissaH » Sat Dec 10, 2016 6:52 pm

1 Replies

5861 Views

Last post by admin
Mon Dec 12, 2016 3:55 pm
Segmentation fault GW

Last post by admin « Thu Nov 17, 2016 11:45 am
Replies: 1
by alexshipilova » Mon Nov 07, 2016 12:43 pm

1 Replies

3519 Views

Last post by admin
Thu Nov 17, 2016 11:45 am
NBANDSGWLOW problem

Last post by ntuxi « Mon Nov 07, 2016 7:37 am
Replies: 2
by ntuxi » Wed Oct 26, 2016 8:04 am

2 Replies

3815 Views

Last post by ntuxi
Mon Nov 07, 2016 7:37 am
Parallelization/MPI problem on Cray XC30/40 (hangs)

Last post by ahampel « Wed Oct 26, 2016 9:49 am
Replies: 2
by ahampel » Wed Feb 24, 2016 4:36 pm

2 Replies

5266 Views

Last post by ahampel
Wed Oct 26, 2016 9:49 am
Random performance lost

Last post by fish « Thu Oct 06, 2016 5:18 pm
Replies: 1
by jun » Mon Jun 27, 2016 2:48 am

1 Replies

3265 Views

Last post by fish
Thu Oct 06, 2016 5:18 pm
Compatibility between IBRION=6 and LEPSILON

Last post by jzwanzig « Thu Sep 15, 2016 5:09 pm
Replies: 2
by jzwanzig » Thu Sep 01, 2016 7:50 pm

2 Replies

4038 Views

Last post by jzwanzig
Thu Sep 15, 2016 5:09 pm
About Patches

Last post by admin « Wed Aug 31, 2016 8:07 am
Replies: 3
by zhangwb@csust.edu.cn » Tue Aug 30, 2016 10:42 am

3 Replies

3929 Views

Last post by admin
Wed Aug 31, 2016 8:07 am
Segmentation fault with empty POSCAR

Last post by alex « Thu Aug 25, 2016 9:57 am
Replies: 1
by mwistey » Wed Aug 10, 2016 10:56 pm

1 Replies

3333 Views

Last post by alex
Thu Aug 25, 2016 9:57 am
Nonlocal vdW functionals with non-collinear (LSORB)

Last post by Infant « Fri Jul 29, 2016 1:36 pm
Replies: 2
by Infant » Thu Jul 28, 2016 10:50 am

2 Replies

4262 Views

Last post by Infant
Fri Jul 29, 2016 1:36 pm
average potential at core in vasprun

Last post by Emmanuel « Wed Jul 20, 2016 1:07 pm
Replies: 2
by Emmanuel » Wed Jul 13, 2016 3:27 pm

2 Replies

3551 Views

Last post by Emmanuel
Wed Jul 20, 2016 1:07 pm
Can't activate Van Der Waals calculation in 5.4.1

Last post by admin « Wed Jul 13, 2016 10:24 am
Replies: 1
by chelman » Thu Jun 30, 2016 9:51 pm

1 Replies

3695 Views

Last post by admin
Wed Jul 13, 2016 10:24 am
deepest layers comes on top of surface after vacuum space

Last post by tfrankcombe « Wed Jul 13, 2016 4:25 am
Replies: 3
by venkatramana » Fri Jun 24, 2016 8:42 am

3 Replies

4075 Views

Last post by tfrankcombe
Wed Jul 13, 2016 4:25 am
VASP_POSCAR_File

Last post by admin « Mon Jul 11, 2016 10:22 am
Replies: 1
by vj181 » Sun Jul 10, 2016 4:15 am

1 Replies

2738 Views

Last post by admin
Mon Jul 11, 2016 10:22 am
Unphysical value of DOS : EMIN, EMAX, NEDOS

Last post by jnokelai « Mon Jun 27, 2016 3:05 pm
Replies: 1
by deepashri » Mon Jun 27, 2016 12:04 pm

1 Replies

4373 Views

Last post by jnokelai
Mon Jun 27, 2016 3:05 pm

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